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Home > Pyridines > 1171924-09-6
1171924-09-6 | 2-Hydroxy-6-(2-pyridin-2-yl-ethyl)-benzoic acid methyl ester
CAS No: 1171924-09-6 Catalog No: AG00JS3X MDL No:
Product Description
Catalog Number:
AG00JS3X
Chemical Name:
2-Hydroxy-6-(2-pyridin-2-yl-ethyl)-benzoic acid methyl ester
CAS Number:
1171924-09-6
Molecular Formula:
C15H15NO3
Molecular Weight:
257.2845
IUPAC Name:
methyl 2-hydroxy-6-(2-pyridin-2-ylethyl)benzoate
InChI:
InChI=1S/C15H15NO3/c1-19-15(18)14-11(5-4-7-13(14)17)8-9-12-6-2-3-10-16-12/h2-7,10,17H,8-9H2,1H3
InChI Key:
RRGFEKDAZRAGME-UHFFFAOYSA-N
SMILES:
COC(=O)c1c(cccc1O)CCc1ccccn1
Properties
Complexity:
295
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
257.105g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
257.289g/mol
Monoisotopic Mass:
257.105g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
59.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
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